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	hartrees
Energy at 0K	-369.145174
Energy at 298.15K	-369.151760
HF Energy	-368.864047
Nuclear repulsion energy	58.979012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2572	2424	27.64
2	A₁	2531	2385	68.27
3	A₁	1159	1092	32.41
4	A₁	1075	1013	247.60
5	A₁	516	486	0.16
6	A₂	246	232	0.00
7	E	2619	2468	166.86
7	E	2619	2468	166.86
8	E	2585	2435	5.91
8	E	2585	2435	5.91
9	E	1200	1131	7.36
9	E	1200	1131	7.36
10	E	1168	1100	10.41
10	E	1168	1100	10.41
11	E	886	835	0.98
11	E	886	835	0.98
12	E	397	374	3.44
12	E	397	374	3.44

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.401
P2	0.000	0.000	0.562
H3	0.000	-1.169	-1.683
H4	-1.012	0.585	-1.683
H5	1.012	0.585	-1.683
H6	0.000	1.238	1.209
H7	-1.072	-0.619	1.209
H8	1.072	-0.619	1.209

	B1	P2	H3	H4	H5	H6	H7	H8
B1		1.9630	1.2027	1.2027	1.2027	2.8886	2.8886	2.8886
P2	1.9630		2.5315	2.5315	2.5315	1.3969	1.3969	1.3969
H3	1.2027	2.5315		2.0249	2.0249	3.7629	3.1332	3.1332
H4	1.2027	2.5315	2.0249		2.0249	3.1332	3.1332	3.7629
H5	1.2027	2.5315	2.0249	2.0249		3.1332	3.7629	3.1332
H6	2.8886	1.3969	3.7629	3.1332	3.1332		2.1445	2.1445
H7	2.8886	1.3969	3.1332	3.1332	3.7629	2.1445		2.1445
H8	2.8886	1.3969	3.1332	3.7629	3.1332	2.1445	2.1445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	P2	H6	117.582	B1	P2	H7	117.582
B1	P2	H8	117.582	P2	B1	H3	103.580
P2	B1	H4	103.580	P2	B1	H5	103.580
H3	B1	H4	114.664	H3	B1	H5	114.664
H4	B1	H5	114.664	H6	P2	H7	100.278
H6	P2	H8	100.278	H7	P2	H8	100.278

All results from a given calculation for BH₃PH₃ (borane phosphine)

using model chemistry: CCD/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BH3PH3 (borane phosphine)

using model chemistry: CCD/6-31+G**

States and conformations

All results from a given calculation for BH₃PH₃ (borane phosphine)